SCHEMBL6826472

SCHEMBL6826472

CCCCOC(=O)C(C)NC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
ALPG P10696 1/20 0.43
PPARG P37231 1/20 0.43
HTT P42858 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42
CNR1 P21554 1/20 0.41
DAGLA Q9Y4D2 1/20 0.41
RAB9A P51151 2/20 0.40
MAPT P10636 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17287125 1.00 ATM (0.47) ATMALDH1A1NPSR1HPGDTSHR
SCHEMBL6826471 1.00 ATM (0.47) ATMALDH1A1NPSR1HPGDTSHR
SCHEMBL11026074 0.89 HCAR2 (0.38) ATMALDH1A1NPSR1TSHRADH1B
SCHEMBL23044882 0.89 HCAR2 (0.38) ATMALDH1A1NPSR1TSHRADH1B
SCHEMBL13746856 0.81 NPSR1 (0.48) ATMALDH1A1NPSR1HPGDTSHR
SCHEMBL18510055 0.80 ALDH1A1 (0.52) ATMALDH1A1NPSR1HPGDTSHR
SCHEMBL5527208 0.80 MGAM (0.41) ALDH1A1NPSR1ADH1BADH1CADH1A
SCHEMBL18510017 0.80 ALDH1A1 (0.52) ATMALDH1A1NPSR1HPGDTSHR
SCHEMBL7060302 0.80 MGAM (0.41) ALDH1A1NPSR1ADH1BADH1CADH1A
SCHEMBL11028935 0.79 CA12 (0.38) ALDH1A1ADH1BADH1CADH1AADH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114644577-A Environment-friendly preparation method of substituted isonitrile compound 新发药业有限公司 2022-06-21 CN disclosed
US-6740774-B1 REACTING CARBOXAMIDE WITH GLYOXAL MONOACETAL DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2004-05-25 US disclosed
US-20030100790-A1 Process for preparing N-formylamino carboxylic esters BASF AKTIENGESELLSCHAFT (DE) 2003-05-29 US disclosed
EP-1310481-A1 Process for the preparation of N-formyl-aminocarboxylic acid esters BASF AKTIENGESELLSCHAFT (DE) 2003-05-14 EP disclosed
EP-1078916-B1 Process for the preparation of N-acylaminoacid esters and N-acylaminoacetals BASF AG (DE) 2002-12-11 EP disclosed
EP-1078916-A1 Process for the preparation of N-acylaminoacid esters and N-acylaminoacetals BASF AKTIENGESELLSCHAFT (DE) 2001-02-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030100790-A1 Process for preparing N-formylamino carboxylic esters DNPEP, QPCT, FPR3 ATM 4093/4885ALDH1A1 1771/4885NPSR1 271/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.